1-(5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl)piperidine perchlorate

C15H25ClN2O4 — CID 71356627

IUPAC1-(5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl)piperidine perchlorate
SMILESC(=CC=[N+]1CCCCC1)C=CN1CCCCC1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C15H25N2.ClHO4/c1-4-10-16(11-5-1)14-8-3-9-15-17-12-6-2-7-13-17;2-1(3,4)5/h3,8-9,14-15H,1-2,4-7,10-13H2;(H,2,3,4,5)/q+1;/p-1
InChIKeyLIKQQYQAJKYFAP-UHFFFAOYSA-M
MW332.83 g/mol
LogP-1.95
Rot. Bonds3

About 1-(5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl)piperidine perchlorate

1-(5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl)piperidine perchlorate (PubChem CID 71356627) has the molecular formula C15H25ClN2O4 and a molecular weight of 332.83 g/mol. Its IUPAC name is 1-(5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl)piperidine perchlorate.

Molecular Properties

Compound Name1-(5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl)piperidine perchlorate
PubChem CID71356627
Molecular FormulaC15H25ClN2O4
Molecular Weight332.83 g/mol
Exact Mass332.15
IUPAC Name1-(5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl)piperidine perchlorate
SMILESC(=CC=[N+]1CCCCC1)C=CN1CCCCC1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C15H25N2.ClHO4/c1-4-10-16(11-5-1)14-8-3-9-15-17-12-6-2-7-13-17;2-1(3,4)5/h3,8-9,14-15H,1-2,4-7,10-13H2;(H,2,3,4,5)/q+1;/p-1
InChIKeyLIKQQYQAJKYFAP-UHFFFAOYSA-M
XLogP-1.95
TPSA98.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 5-1.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl)piperidine perchlorate?
The IUPAC name of 1-(5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl)piperidine perchlorate (CID 71356627) is 1-(5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl)piperidine perchlorate.
What is the SMILES notation for 1-(5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl)piperidine perchlorate?
The canonical SMILES for 1-(5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl)piperidine perchlorate is C(=CC=[N+]1CCCCC1)C=CN1CCCCC1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 1-(5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl)piperidine perchlorate?
The InChIKey is LIKQQYQAJKYFAP-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H25N2.ClHO4/c1-4-10-16(11-5-1)14-8-3-9-15-17-12-6-2-7-13-17;2-1(3,4)5/h3,8-9,14-15H,1-2,4-7,10-13H2;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 1-(5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl)piperidine perchlorate?
1-(5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl)piperidine perchlorate has a molecular weight of 332.83 g/mol, XLogP of -1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl)piperidine perchlorate is sourced from PubChem (CID 71356627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).